3,3-DIiodo-1,1,1-trifluoroacetone CAS 644994-86-5
| CAS No. | 644994-86-5 |
| Molecular Formula | C3HF3I2O |
| Molecular Weight | 363.84 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
3,3-DIiodo-1,1,1-trifluoroacetone (CAS 644994-86-5), molecular formula C3HF3I2O and molecular weight 363.84 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a hydroxyl group, an ether linkage, fluorine/iodine substitution, 3,3-DIiodo-1,1,1-trifluoroacetone is typically white to off-white crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 363.84 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
As a certified reference material (CRM), 3,3-DIiodo-1,1,1-trifluoroacetone meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C3HF3I2O |
| Molecular Weight | 363.84 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | Stable under recommended storage conditions |
| Degree of Unsaturation (DBE) | 1.0 |
| CAS Registry Year (est.) | 1985 |
| Halogen Content | F/I-containing |
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Recommended Standards
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- Tris (2,2'-bipyrazine) ruthenium dihydrochloride (CAS 80925-50-4)
- 1-(2,6-Difluorophenyl)-1H-pyrrole-2-carbonitrile (CAS 195711-28-5)
- 2-(BRomomethyl)-3-chlorophenol (CAS 1261514-67-3)
- (2R,3R,4S,5R,6S)-6-((R)-1,2-Dihydroxyethyl)tetrahydro-2H-pyran-2,3,4,5-tetraol (CAS 87172-53-0)
- ethyl 2-(pyrimidin-5-yl)acetate (CAS 6214-48-8)
- (R)-1-(3-(1,1-Difluoroethyl)phenyl)ethan-1-amine hydrochloride (CAS 2569698-48-0)
- Semaglutide Impurity 142 (CAS CATO-C4X-2226142)
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